SCHEMBL620071

SCHEMBL620071

OC(COOCc1ccccc1)COOCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.53
CA2 P00918 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
TSHR P16473 4/20 0.46
IDO1 P14902 1/20 0.43
MAPK1 P28482 1/20 0.42
AGXT P21549 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HIF1A Q16665 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16617462 0.91 CA1 (0.46) CA1CA2CA7CA9TSHR
SCHEMBL7783457 0.90 CA1 (0.49) CA1CA2CA7CA9TSHR
SCHEMBL9694660 0.90 CA1 (0.49) CA1CA2CA7CA9TSHR
Bicarbonate SCHEMBL1988294 0.85 CA1 (0.45) CA1CA2CA7CA9MAPK1
SCHEMBL177923 0.81 TSHR (0.67) CA1CA2CA9TSHRIDO1
SCHEMBL4412607 0.80 CA1 (0.43) CA1CA2CA7CA9TSHR
SCHEMBL397022 0.80 CA1 (0.78) CA1CA2CA7CA9TSHR
SCHEMBL29291372 0.78 TSHR (0.46) CA1CA2CA7CA9TSHR
SCHEMBL4363419 0.78 TSHR (0.63) CA1CA2CA9TSHRIDO1
Water SCHEMBL28419682 0.78 TSHR (0.63) CA1CA2CA9TSHRIDO1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389348-B1 PROCESS FOR THE SYNTHESIS OF BETA GLYCEROL PHOSPHATE SIGMA ALDRICH CO LLC (US) 2017-11-15 EP disclosed
US-8420848-B2 Process for the synthesis of beta glycerol phosphate SIGMA-ALDRICH CO. LLC (US) 2013-04-16 US disclosed
US-20120041222-A1 PROCESS THE SYNTHESIS OF BETA GLYCEROL PHOSPHATE SIGMA-ALDRICH CO. (US) 2012-02-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120041222-A1 PROCESS THE SYNTHESIS OF BETA GLYCEROL PHOSPHATE GK, GNPAT, AGPAT5 CA1 2710/4885CA2 778/4885CA7 916/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.